Information card for entry 2016563

Structure parameters

• Chemical name: phenanthroline)-1κ^2^N,N';3κ^2^N,N'-di-μ-hydroxido-1:2κ^2^O:O,2:3κ^2^O:O-\ tricopper(II) dinitrate dihydrate
• Formula: C32 H36 Cu3 N6 O16
• Calculated formula: C32 H36 Cu3 N6 O16
• SMILES: N(=O)(=O)[O-].O.[Cu]12([OH][Cu]5([n]3c6c7c(ccc[n]57)ccc6ccc3)([O]=C(C(=C)C)O1)[OH2])[OH][Cu]1([n]3c4c5c(ccc[n]15)ccc4ccc3)([O]=C(C(=C)C)O2)[OH2].N(=O)(=O)[O-].O
• Title of publication: A mixed bridged trinuclear copper(II)‒1,10-phenanthroline complex with a linear structure
• Authors of publication: Chen, Fang; Lu, Wei-Min; Zhu, Yue
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m167 - m169
• a: 7.3779 ± 0.0005 Å
• b: 11.157 ± 0.0009 Å
• c: 12.583 ± 0.0009 Å
• α: 71.081 ± 0.002°
• β: 81.596 ± 0.002°
• γ: 70.529 ± 0.002°
• Cell volume: 922.94 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes